SCHEMBL3673576

SCHEMBL3673576

Clc1nc(-c2ccco2)c2scc(Br)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 10/20 0.45
PIK3CA P42336 10/20 0.45
MAPT P10636 4/20 0.43
HSD17B10 Q99714 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 3/20 0.43
PKM P14618 3/20 0.43
ALOX15 P16050 3/20 0.43
CASP1 P29466 3/20 0.43
BLM P54132 3/20 0.43
CASP7 P55210 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
PTPN7 P35236 2/20 0.43
RECQL P46063 2/20 0.43
USP2 O75604 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3682872 0.87 MAPT (0.42) PIK3R1PIK3CAMAPTHSD17B10MEN1
SCHEMBL3677616 0.80 ADORA2A (0.61) PIK3R1PIK3CAMAPTHSD17B10MEN1
SCHEMBL3679435 0.79 ADORA2A (0.37) PIK3R1PIK3CAMAPTHSD17B10MEN1
SCHEMBL13283680 0.78 ADORA2A (0.39) PIK3R1PIK3CAMAPTHSD17B10MEN1
SCHEMBL3684791 0.76 GLO1 (0.42) PIK3R1PIK3CAMAPTHSD17B10MEN1
SCHEMBL3676985 0.75 ADORA2A (0.65) PIK3R1PIK3CAMAPTMEN1ALDH1A1
SCHEMBL3682944 0.74 ADORA2A (0.69) PIK3R1PIK3CAMAPTHSD17B10MEN1
SCHEMBL16639077 0.73 PRKCI (0.32) PIK3R1PIK3CAPIK3CD
SCHEMBL13257881 0.72 ADORA2A (0.47) PIK3R1PIK3CAMAPTMEN1ALDH1A1
SCHEMBL13283701 0.71 ACVR1 (0.38) PIK3R1PIK3CAMAPTHSD17B10MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US disclosed
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US disclosed
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US disclosed
EP-1349861-B1 THIENO(3,2-d)PYRIMIDINES AND FURANO(3,2-d)PYRIMIDINES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2008-09-10 EP disclosed
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-06-26 US disclosed
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-06-26 US disclosed
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-06-26 US disclosed
US-7384949-B2 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyrimidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-06-10 US disclosed
US-7384949-B2 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyrimidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-06-10 US disclosed
US-7384949-B2 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyrimidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-06-10 US disclosed
US-20040097524-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyimidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES HIF1AN, HIF1A, EGLN3 PIK3R1 1274/4885PIK3CA 683/4885MAPT 4791/4885
US-20040097524-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyimidines and their use as purinergic receptor antagonists CNR1, CNR2, RYR2 PIK3R1 1259/4885PIK3CA 2027/4885MAPT 877/4885
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists CHRNA5, HTR5A, CHRNA6 PIK3R1 1664/4885PIK3CA 1767/4885MAPT 1597/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.